N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide

C27H30N2O4 — CID 17134546

IUPACN'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O4/c1-20(2)15-17-32-24-13-11-22(12-14-24)26(30)28-29-27(31)23-9-6-10-25(19-23)33-18-16-21-7-4-3-5-8-21/h3-14,19-20H,15-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyLJROVFRAEVZLOA-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.81
Rot. Bonds10

About N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide

N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide (PubChem CID 17134546) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
PubChem CID17134546
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N2O4/c1-20(2)15-17-32-24-13-11-22(12-14-24)26(30)28-29-27(31)23-9-6-10-25(19-23)33-18-16-21-7-4-3-5-8-21/h3-14,19-20H,15-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyLJROVFRAEVZLOA-UHFFFAOYSA-N
XLogP4.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134750
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
3-(2-phenylethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17134886
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide (CID 17134546) is N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1.
What is the InChIKey of N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide?
The InChIKey is LJROVFRAEVZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-20(2)15-17-32-24-13-11-22(12-14-24)26(30)28-29-27(31)23-9-6-10-25(19-23)33-18-16-21-7-4-3-5-8-21/h3-14,19-20H,15-18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide?
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide has a molecular weight of 446.55 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17134546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).